N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine

C13H17N — CID 123850819

IUPACN-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine
SMILESC=CC=C1C(CCC)=CC=C/C1=N\C
InChIInChI=1S/C13H17N/c1-4-7-11-9-6-10-13(14-3)12(11)8-5-2/h5-6,8-10H,2,4,7H2,1,3H3/b12-8?,14-13+
InChIKeyCBBKDCAPFDJNFJ-OMOWDWKYSA-N
MW187.29 g/mol
LogP3.47
Rot. Bonds3

About N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine

N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine (PubChem CID 123850819) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine
PubChem CID123850819
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine
SMILESC=CC=C1C(CCC)=CC=C/C1=N\C
InChIInChI=1S/C13H17N/c1-4-7-11-9-6-10-13(14-3)12(11)8-5-2/h5-6,8-10H,2,4,7H2,1,3H3/b12-8?,14-13+
InChIKeyCBBKDCAPFDJNFJ-OMOWDWKYSA-N
XLogP3.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine
CID 153384496
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine
CID 166823969
4-fluoro-1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 170254474
1-[(6R)-6-fluoro-5-methylidenecyclohexen-1-yl]-N-methylethanimine
CID 170395095
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine?
The IUPAC name of N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine (CID 123850819) is N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine is C=CC=C1C(CCC)=CC=C/C1=N\C.
What is the InChIKey of N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine?
The InChIKey is CBBKDCAPFDJNFJ-OMOWDWKYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-7-11-9-6-10-13(14-3)12(11)8-5-2/h5-6,8-10H,2,4,7H2,1,3H3/b12-8?,14-13+.
What are the key properties of N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine?
N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine has a molecular weight of 187.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-prop-2-enylidene-5-propylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 123850819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).